SCHEMBL8917332

SCHEMBL8917332

CN1CCN(CC(=O)N2CCOCC2)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.46
PIK3CD O00329 1/20 0.45
ALDH1A1 P00352 4/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4969885 0.77 HSD17B10 (0.69) ALOX15TSHRHSD17B10GAAPOLB
SCHEMBL4472888 0.76 TSHR (0.58) ALOX15TSHRHSD17B10GAAPOLB
SCHEMBL8916586 0.75 ALDH1A1 (0.60) GAAPOLBSMN1; SMN2KDM4ELMNA
SCHEMBL12640357 0.75 PIK3CD (0.55) SMN1; SMN2PIK3CDRECQL
SCHEMBL2544936 0.75 PIK3CD (0.55) TSHRHSD17B10POLBSMN1; SMN2KDM4E
SCHEMBL26981196 0.74 HSD17B10 (0.91) ALOX15TSHRHSD17B10GAAPOLB
SCHEMBL12226466 0.74 HSD17B10 (0.69) ALOX15TSHRHSD17B10GAAPOLB
SCHEMBL14218697 0.74 TSHR (0.69) ALOX15TSHRHSD17B10GAAPOLB
Hydrochloric Acid SCHEMBL2543735 0.74 PIK3CD (0.53) TSHRHSD17B10SMN1; SMN2PIK3CDHTT
SCHEMBL31053551 0.74 PIK3CD (0.53) TSHRPOLBKDM4EPIK3CDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALOX15 495/4885TSHR 1585/4885HSD17B10 1452/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALOX15 1010/4885TSHR 2239/4885HSD17B10 1295/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALOX15 597/4885TSHR 743/4885HSD17B10 801/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.